Kühn M - Search Results

1

Luminescence in phosphine-stabilized copper chalcogenide cluster molecules--a comparative study.

Eichhöfer A, Buth G, Lebedkin S, Kühn M, Weigend F. Eichhöfer A, et al. Among authors: kuhn m. Inorg Chem. 2015 Oct 5;54(19):9413-22. doi: 10.1021/acs.inorgchem.5b01146. Epub 2015 Sep 17. Inorg Chem. 2015. PMID: 26378617

2

Synthesis and Optical Properties of [Cu₆E₆(SnPh)₂(PPh₂Et)₆] (E = S, Se, Te) Cluster Molecules.

Eichhöfer A, Kühn M, Lebedkin S, Kehry M, Kappes MM, Weigend F. Eichhöfer A, et al. Among authors: kuhn m. Inorg Chem. 2017 Aug 7;56(15):9330-9336. doi: 10.1021/acs.inorgchem.7b01495. Epub 2017 Jul 21. Inorg Chem. 2017. PMID: 28731683

3

Red-luminescent biphosphine stabilized 'Cu₁₂S₆' cluster molecules.

Yang XX, Issac I, Lebedkin S, Kühn M, Weigend F, Fenske D, Fuhr O, Eichhöfer A. Yang XX, et al. Among authors: kuhn m. Chem Commun (Camb). 2014 Sep 28;50(75):11043-5. doi: 10.1039/c4cc04702h. Epub 2014 Aug 7. Chem Commun (Camb). 2014. PMID: 25098944

4

Coinage Metal Complexes of Bis-Alkynyl-Functionalized N-Heterocyclic Carbenes: Reactivity, Photophysical Properties, and Quantum Chemical Investigations.

Kiefer C, Bestgen S, Gamer MT, Kühn M, Lebedkin S, Weigend F, Kappes MM, Roesky PW. Kiefer C, et al. Among authors: kuhn m. Chemistry. 2017 Jan 31;23(7):1591-1603. doi: 10.1002/chem.201604292. Epub 2017 Jan 4. Chemistry. 2017. PMID: 27780290

5

Optical properties of trinuclear metal chalcogenolate complexes - room temperature NIR fluorescence in [Cu₂Ti(SPh)₆(PPh₃)₂].

Kühn M, Lebedkin S, Weigend F, Eichhöfer A. Kühn M, et al. Dalton Trans. 2017 Jan 31;46(5):1502-1509. doi: 10.1039/c6dt04287b. Dalton Trans. 2017. PMID: 28091649

6

Vibrational circular dichroism spectra for large molecules and molecules with heavy elements.

Reiter K, Kühn M, Weigend F. Reiter K, et al. Among authors: kuhn m. J Chem Phys. 2017 Feb 7;146(5):054102. doi: 10.1063/1.4974897. J Chem Phys. 2017. PMID: 28178845

7

Phosphorescence energies of organic light-emitting diodes from spin-flip Tamm-Dancoff approximation time-dependent density functional theory.

Kühn M, Weigend F. Kühn M, et al. Chemphyschem. 2011 Dec 9;12(17):3331-6. doi: 10.1002/cphc.201100310. Epub 2011 Aug 18. Chemphyschem. 2011. PMID: 21853514

8

Superatomic Orbitals under Spin-Orbit Coupling.

Jiang DE, Kühn M, Tang Q, Weigend F. Jiang DE, et al. Among authors: kuhn m. J Phys Chem Lett. 2014 Oct 2;5(19):3286-9. doi: 10.1021/jz501745z. Epub 2014 Sep 12. J Phys Chem Lett. 2014. PMID: 26278432

9

Phosphorescence lifetimes of organic light-emitting diodes from two-component time-dependent density functional theory.

Kühn M, Weigend F. Kühn M, et al. J Chem Phys. 2014 Dec 14;141(22):224302. doi: 10.1063/1.4902013. J Chem Phys. 2014. PMID: 25494744

10

Two-component hybrid time-dependent density functional theory within the Tamm-Dancoff approximation.

Kühn M, Weigend F. Kühn M, et al. J Chem Phys. 2015 Jan 21;142(3):034116. doi: 10.1063/1.4905829. J Chem Phys. 2015. PMID: 25612698

The influence of the admixture of Hartree-Fock exchange on excitation energies is investigated for several atoms and diatomic molecules by comparison to numbers for pure density functionals obtained previously [M. Kuhn and F. Weigend, J. Chem. Theory Comput. 9, 5341 …

The influence of the admixture of Hartree-Fock exchange on excitation energies is investigated for several atoms and diatomic molecules by c …

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